Name: Isocucurbitacin B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665574
Cas No:17278-28-3
常用名:Isocucurbitacin B
别名:异葫芦素B
IUPAC:(3E,6R)-6-[(1R,2R,3aS,3bS,7S,9aR,9bR,11aR)-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-8,10-dioxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
IUPAC:(3E,6R)-6-[(1R,2R,3aS,3bS,7S,9aR,9bR,11aR)-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-8,10-dioxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
InChI key:WTBZNVRBNJWSPF-DZEACCAPSA-N

分子式:C32H46O8
分子量:558.712
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:2.7770581
SMILES:[H][C@@]12CC(=O)[C@@H](O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O)[C@@]3(C)CC(=O)[C@@]21C |c:11|
SMILES:[H][C@@]12CC(=O)[C@@H](O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O)[C@@]3(C)CC(=O)[C@@]21C |c:11|

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